D314-0404 Screening compound: 1-(2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperazine

D314-0404 Screening compound: 1-(2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperazine
D314-0404 Screening compound: 1-(2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D314-0404
1-(2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperazine

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D314-0404

Molecular Formula

C23H29N5O2S (C23 H29 N5 O2 S)

Compound Name

1-(2-{4-[(4-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carbonyl)-4-methylpiperazine

IUPAC name

1-(2-{4-[(4-methoxyphenyl)methyl]-35-dimethyl-1H-pyrazol-1-yl}-4-methyl-13-thiazole-5-carbonyl)-4-methylpiperazine

SMILES

Cc1c(Cc(cc2)ccc2OC)c(C)nn1-c1nc(C)c(C(N2CCN(C)CC2)=O)s1

InChI

InChI=1S/C23H29N5O2S/c1-15-20(14-18-6-8-19(30-5)9-7-18)17(3)28(25-15)23-24-16(2)21(31-23)22(29)27-12-10-26(4)11-13-27/h6-9H,10-14H2,1-5H3

InChI Key

KUBXEQPQQJPCPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818160

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

439.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.158

Distribution Coefficient, logD

3.032

Water Solubility, LogSw

-3.21

Polar Surface Area

52.451

Acid Dissociation Constant (pKa)

21.88

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

D314-0404 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D314-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D314-0404?
Check Price and Availability of D314-0404, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D314-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D314-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D314-0404
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D314-0404 available by request